SCHEMBL8241998

SCHEMBL8241998

O=Cc1cc(Br)c(-c2ccnc3[nH]ccc23)s1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.56
AKT2 P31751 9/20 0.50
AKT3 Q9Y243 8/20 0.50
PRKCI P41743 1/20 0.48
ROCK1 Q13464 2/20 0.46
EGFR P00533 1/20 0.45
PIM1 P11309 1/20 0.45
PRKCA P17252 1/20 0.45
SYK P43405 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
GSK3B P49841 1/20 0.45
MAPK14 Q16539 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL857030 0.72 IKBKB (0.47) AKT1PRKCIROCK1
SCHEMBL2240671 0.70 AURKB (0.71) PRKCIROCK1
SCHEMBL858844 0.68 IKBKB (0.64) PRKCIROCK1
SCHEMBL4582969 0.68 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL859116 0.67 NUDT1 (0.58) PRKCIROCK1
SCHEMBL99690 0.67 PRKCI (1.00) AKT2PRKCIROCK1
SCHEMBL29431169 0.67 PRKCI (1.00) AKT2PRKCIROCK1
SCHEMBL857778 0.67 NUDT1 (0.64) PRKCIROCK1
SCHEMBL634449 0.66 KMT2A (0.56) PRKCIROCK1
SCHEMBL29957150 0.66 KMT2A (0.56) PRKCIROCK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed